Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29140412 | 1.00 | TAAR1 (0.45) | TAAR1HTR1ADRD2HTR7TSHR | |
| SCHEMBL28517977 | 0.87 | TAAR1 (0.51) | TAAR1HTR1ADRD2HTR7 | |
| SCHEMBL28511085 | 0.83 | TAAR1 (0.60) | TAAR1HTR1ADRD2HTR7 | |
| SCHEMBL28511084 | 0.83 | TAAR1 (0.60) | TAAR1HTR1ADRD2HTR7 | |
| SCHEMBL30733601 | 0.83 | TAAR1 (0.60) | TAAR1HTR1ADRD2HTR7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28529671 | 0.83 | TAAR1 (0.47) | TAAR1HTR1ADRD2HTR7 | |
| Hydrochloric Acid SCHEMBL30733605 | 0.82 | TAAR1 (0.59) | TAAR1HTR1ADRD2HTR7 | |
| Hydrochloric Acid SCHEMBL28522435 | 0.82 | TAAR1 (0.59) | TAAR1HTR1ADRD2HTR7 | |
| Hydrochloric Acid SCHEMBL29140413 | 0.82 | TAAR1 (0.59) | TAAR1HTR1ADRD2HTR7 | |
| Hydrochloric Acid SCHEMBL28513760 | 0.82 | TAAR1 (0.59) | TAAR1HTR1ADRD2HTR7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118406063-A | Salt, crystal forms and preparation method thereof | 赛诺维信制药公司 | 2024-07-30 | — | — | CN | claimed |
| CN-118406063-A | Salt, crystal forms and preparation method thereof | 赛诺维信制药公司 | 2024-07-30 | — | — | CN | disclosed |
| CN-112135827-B | Salt, crystal forms and preparation method thereof | 赛诺维信制药公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-112135827-A | Salts, crystalline forms and methods for preparing the same | 赛诺维信制药公司 | 2020-12-25 | — | — | CN | disclosed |